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Home > Other Heterocycles > 189561-25-9
189561-25-9 | 1-Oxaspiro[2.5]octan-6-ol, 4-[2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-
CAS No: 189561-25-9 Catalog No: AG002DQQ MDL No:
Product Description
Catalog Number:
AG002DQQ
Chemical Name:
1-Oxaspiro[2.5]octan-6-ol, 4-[2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-
CAS Number:
189561-25-9
Molecular Formula:
C15H24O3
Molecular Weight:
252.3493
IUPAC Name:
4-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-ol
InChI:
InChI=1S/C15H24O3/c1-10(2)4-5-13-14(3,18-13)12-8-11(16)6-7-15(12)9-17-15/h4,11-13,16H,5-9H2,1-3H3
InChI Key:
GQZNLCVCDSSGRA-UHFFFAOYSA-N
SMILES:
OC1CCC2(C(C1)C1(C)OC1CC=C(C)C)CO2
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.173g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.354g/mol
Monoisotopic Mass:
252.173g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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